ChemSpider 2D Image | (3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate | C21H35NO5

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate

  • Molecular FormulaC21H35NO5
  • Average mass381.506 Da
  • Monoisotopic mass381.251526 Da
  • ChemSpider ID35034698
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate [ACD/IUPAC Name]
(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl-N,N-dimethylglycinat [German] [ACD/IUPAC Name]
Glycine, N,N-dimethyl-, (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl ester [ACD/Index Name]
N,N-Diméthylglycinate de (3R,4S,5S,7R,9E,11R,12R)-12-éthyl-3,5,7,11-tétraméthyl-2,8-dioxooxacyclododéc-9-én-4-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 507.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.492
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 5.31
ACD/KOC (pH 5.5): 41.83
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 129.16
ACD/KOC (pH 7.4): 1017.90
Polar Surface Area: 73 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 361.2±5.0 cm3

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